SCHEMBL29560681

SCHEMBL29560681

COC(=O)c1csc2c(Cl)cc(Cl)nc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.43
▸ SMN1; SMN2 Q16637 3/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ NQO2 P16083 7/20 0.40
▸ GAA P10253 1/20 0.37
▸ ABL1 P00519 1/20 0.36
▸ PKM P14618 1/20 0.35
▸ CHEK1 O14757 1/20 0.35
▸ MET P08581 1/20 0.35
▸ GSK3B P49841 1/20 0.35
▸ LIMK1 P53667 1/20 0.35
▸ DYRK1A Q13627 1/20 0.35
▸ CLK4 Q9HAZ1 1/20 0.35
▸ DYRK1B Q9Y463 1/20 0.35
▸ RXFP1 Q9HBX9 1/20 0.35
▸ NPC1 O15118 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ NFKB1 P19838 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ NFKB2 Q00653 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL21813838 1.00 KDM4E (0.43) KDM4ESMN1; SMN2ALDH1A1NQO2GAA
SCHEMBL29559836 0.87 NQO2 (0.39) KDM4ESMN1; SMN2ALDH1A1NQO2GAA
SCHEMBL27319832 0.87 NQO2 (0.39) KDM4ESMN1; SMN2ALDH1A1NQO2GAA
SCHEMBL19554465 0.87 KDM4E (0.43) KDM4ESMN1; SMN2ALDH1A1NQO2GAA
SCHEMBL21813966 0.82 KDM4E (0.52) KDM4EMAPT
SCHEMBL21813402 0.82 KDM4E (0.39) KDM4ESMN1; SMN2ALDH1A1NQO2GAA
SCHEMBL21814160 0.82 UGT8 (0.42) GAARAB9A
SCHEMBL28718650 0.81 EIF4EBP1 (0.35) SMN1; SMN2ALDH1A1
SCHEMBL22866803 0.81 LMNA (0.37) KDM4ESMN1; SMN2ALDH1A1NQO2GAA
SCHEMBL29661920 0.81 LMNA (0.37) KDM4ESMN1; SMN2ALDH1A1NQO2GAA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118239963-A Compounds as eIF4E inhibitors and uses thereof 南京圣和药业股份有限公司 2024-06-25 — — CN disclosed
CN-114269756-B 4-Oxo-3, 4-dihydropyrido [3,4-D ] pyrimidine compounds that inhibit EIF4E 效应疗法股份有限公司 2024-05-14 — — CN disclosed
EP-3994139-A1 EIF4E-INHIBITING 4-OXO-3,4-DIHYDROPYRIDO[3,4-D]PYRIMIDINE COMPOUNDS Effector Therapeutics Inc. (US) 2022-05-11 — — EP disclosed
CN-114269756-A 4-oxo-3, 4-dihydropyrido [3,4-D ] pyrimidine compounds inhibiting EIF4E 效应疗法股份有限公司 2022-04-01 — — CN disclosed
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